Niraparib tosylate monohydrateProduct ingredient for Niraparib

Name
Niraparib tosylate monohydrate
Drug Entry
Niraparib

Niraparib is an orally active poly (ADP-ribose) polymerase (PARP) inhibitor. By blocking the enzymes responsible for DNA repair, niraparib induces cytotoxicity in cancer cells.6 Niraparib is selective towards PARP-1 and PARP-2.2 First approved by the FDA on March 27, 2017,3 niraparib is used to treat epithelial ovarian, fallopian tube, or primary peritoneal cancer.6 Niraparib was approved by the European Commission on November 16, 2017 7 and by Health Canada on June 27, 2019.8

Accession Number
DBSALT002590
Structure
Synonyms
Not Available
UNII
195Q483UZD
CAS Number
1613220-15-7
Weight
Average: 510.61
Monoisotopic: 510.193691256
Chemical Formula
C26H30N4O5S
InChI Key
ACNPUCQQZDAPJH-FMOMHUKBSA-N
InChI
InChI=1S/C19H20N4O.C7H8O3S.H2O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;1-6-2-4-7(5-3-6)11(8,9)10;/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2-5H,1H3,(H,8,9,10);1H2/t14-;;/m1../s1
IUPAC Name
2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboximidic acid 4-methylbenzene-1-sulfonic acid hydrate
SMILES
O.CC1=CC=C(C=C1)S(O)(=O)=O.[H][C@]1(CCCNC1)C1=CC=C(C=C1)N1C=C2C=CC=C(C(O)=N)C2=N1
ChemSpider
52083979
ChEMBL
CHEMBL3989922
Predicted Properties
PropertyValueSource
Water Solubility0.0547 mg/mLALOGPS
logP2.44ALOGPS
logP1Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)6.38Chemaxon
pKa (Strongest Basic)10.09Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area73.93 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity105.86 m3·mol-1Chemaxon
Polarizability36.37 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon